ChemSpider 2D Image | 3-(4-Chlorophenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(1H-pyrrol-1-yl)butanamide | C21H28ClN3O

3-(4-Chlorophenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(1H-pyrrol-1-yl)butanamide

  • Molecular FormulaC21H28ClN3O
  • Average mass373.919 Da
  • Monoisotopic mass373.192078 Da
  • ChemSpider ID29344304

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrrole-1-butanamide, β-(4-chlorophenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]- [ACD/Index Name]
3-(4-Chlorophenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(1H-pyrrol-1-yl)butanamide [ACD/IUPAC Name]
3-(4-Chlorophényl)-N-[(1-éthyl-2-pyrrolidinyl)méthyl]-4-(1H-pyrrol-1-yl)butanamide [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-4-(1H-pyrrol-1-yl)butanamid [German] [ACD/IUPAC Name]
1574411-88-3 [RN]
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1H-pyrrol-1-yl)butanamide
3-(4-CHLOROPHENYL)-N-[(1-ETHYLPYRROLIDIN-2-YL)METHYL]-4-(PYRROL-1-YL)BUTANAMIDE
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-pyrrol-1-ylbutanamide

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 567.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.2±3.0 kJ/mol
    Flash Point: 297.1±30.1 °C
    Index of Refraction: 1.596
    Molar Refractivity: 107.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.20
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 1.96
    ACD/KOC (pH 7.4): 12.31
    Polar Surface Area: 37 Å2
    Polarizability: 42.8±0.5 10-24cm3
    Surface Tension: 43.8±7.0 dyne/cm
    Molar Volume: 317.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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